General Information of the Compound
| Compound ID |
CP0434480
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(4R)-2-oxo-3-(phenylcarbamoylamino)-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31N3O6
|
||||||||||||||||||
| Molecular Weight |
541.604
|
||||||||||||||||||
| Canonical SMILES |
CC1(OCCO1)C(N1[C@H](\C=C\c2ccccc2)C(NC(=O)Nc2ccccc2)C1=O)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N3O6/c1-31(39-19-20-40-31)27(29(36)38-21-23-13-7-3-8-14-23)34-25(18-17-22-11-5-2-6-12-22)26(28(34)35)33-30(37)32-24-15-9-4-10-16-24/h2-18,25-27H,19-21H2,1H3,(H2,32,33,37)/b18-17+/t25-,26?,27?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTCWGGHQOHWYBD-JDPHRABGSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound